4-[1-(2-aminomorpholin-4-yl)-1,3,5-triazinan-2-yl]morpholin-2-amine

C11H25N7O2 — CID 70401128

IUPAC4-[1-(2-aminomorpholin-4-yl)-1,3,5-triazinan-2-yl]morpholin-2-amine
SMILESNC1CN(C2NCNCN2N2CCOC(N)C2)CCO1
InChIInChI=1S/C11H25N7O2/c12-9-5-16(1-3-19-9)11-15-7-14-8-18(11)17-2-4-20-10(13)6-17/h9-11,14-15H,1-8,12-13H2
InChIKeyFZABEWJTNCTETE-UHFFFAOYSA-N
MW287.37 g/mol
LogP-3.17
Rot. Bonds2

About 4-[1-(2-aminomorpholin-4-yl)-1,3,5-triazinan-2-yl]morpholin-2-amine

4-[1-(2-aminomorpholin-4-yl)-1,3,5-triazinan-2-yl]morpholin-2-amine (PubChem CID 70401128) has the molecular formula C11H25N7O2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-[1-(2-aminomorpholin-4-yl)-1,3,5-triazinan-2-yl]morpholin-2-amine.

Molecular Properties

Compound Name4-[1-(2-aminomorpholin-4-yl)-1,3,5-triazinan-2-yl]morpholin-2-amine
PubChem CID70401128
Molecular FormulaC11H25N7O2
Molecular Weight287.37 g/mol
Exact Mass287.21
IUPAC Name4-[1-(2-aminomorpholin-4-yl)-1,3,5-triazinan-2-yl]morpholin-2-amine
SMILESNC1CN(C2NCNCN2N2CCOC(N)C2)CCO1
InChIInChI=1S/C11H25N7O2/c12-9-5-16(1-3-19-9)11-15-7-14-8-18(11)17-2-4-20-10(13)6-17/h9-11,14-15H,1-8,12-13H2
InChIKeyFZABEWJTNCTETE-UHFFFAOYSA-N
XLogP-3.17
TPSA104.28 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 5-3.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-aminomorpholin-4-yl)-1,3,5-triazinan-2-yl]morpholin-2-amine?
The IUPAC name of 4-[1-(2-aminomorpholin-4-yl)-1,3,5-triazinan-2-yl]morpholin-2-amine (CID 70401128) is 4-[1-(2-aminomorpholin-4-yl)-1,3,5-triazinan-2-yl]morpholin-2-amine.
What is the SMILES notation for 4-[1-(2-aminomorpholin-4-yl)-1,3,5-triazinan-2-yl]morpholin-2-amine?
The canonical SMILES for 4-[1-(2-aminomorpholin-4-yl)-1,3,5-triazinan-2-yl]morpholin-2-amine is NC1CN(C2NCNCN2N2CCOC(N)C2)CCO1.
What is the InChIKey of 4-[1-(2-aminomorpholin-4-yl)-1,3,5-triazinan-2-yl]morpholin-2-amine?
The InChIKey is FZABEWJTNCTETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N7O2/c12-9-5-16(1-3-19-9)11-15-7-14-8-18(11)17-2-4-20-10(13)6-17/h9-11,14-15H,1-8,12-13H2.
What are the key properties of 4-[1-(2-aminomorpholin-4-yl)-1,3,5-triazinan-2-yl]morpholin-2-amine?
4-[1-(2-aminomorpholin-4-yl)-1,3,5-triazinan-2-yl]morpholin-2-amine has a molecular weight of 287.37 g/mol, XLogP of -3.17, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-aminomorpholin-4-yl)-1,3,5-triazinan-2-yl]morpholin-2-amine is sourced from PubChem (CID 70401128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).